3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide

C25H28N2O4S — CID 55580512

IUPAC3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C25H28N2O4S/c1-18-14-15-21(16-24(18)32(29,30)26-17-20-10-6-5-7-11-20)25(28)27(3)19(2)22-12-8-9-13-23(22)31-4/h5-16,19,26H,17H2,1-4H3
InChIKeySTZWOYGYKZYJLR-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.32
Rot. Bonds8

About 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide

3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide (PubChem CID 55580512) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide
PubChem CID55580512
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C25H28N2O4S/c1-18-14-15-21(16-24(18)32(29,30)26-17-20-10-6-5-7-11-20)25(28)27(3)19(2)22-12-8-9-13-23(22)31-4/h5-16,19,26H,17H2,1-4H3
InChIKeySTZWOYGYKZYJLR-UHFFFAOYSA-N
XLogP4.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 24544897
N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 46591480
3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 60593033
3-(benzylsulfamoyl)-N,N-bis(cyanomethyl)-4-methylbenzamide
CID 60613005
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-(benzylsulfamoyl)-4-methylbenzoate
CID 55380208
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 55580213
3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
CID 32686463
3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 32746652
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
3-(benzylsulfamoyl)-N-(furan-2-ylmethyl)-N,4-dimethylbenzamide
CID 24542584
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46588331

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide (CID 55580512) is 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide is COc1ccccc1C(C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide?
The InChIKey is STZWOYGYKZYJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-18-14-15-21(16-24(18)32(29,30)26-17-20-10-6-5-7-11-20)25(28)27(3)19(2)22-12-8-9-13-23(22)31-4/h5-16,19,26H,17H2,1-4H3.
What are the key properties of 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide?
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide has a molecular weight of 452.58 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 55580512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).